Basic information
- Standard SMILES
CCOc1cc(Cl)ccc1C#N- InChIKey
MRSPUXVVGZDCRI-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO
- Average molar mass
- 181.62 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-2-ethoxybenzonitrile
- IUPAC
- 4-chloro-2-ethoxybenzonitrile
Names & synonyms
4-chloro-2-ethoxybenzonitrile548473-74-14-chloro-2-ethoxy-benzonitrileSCHEMBL4678021MRSPUXVVGZDCRI-UHFFFAOYSA-NYWA47374AKOS012394796DB-357971CS-0223131EN300-114021G53493Z1082857968
Database identifiers
- PubChem CID
- 22721189
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
4 records
Compound notes
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